Stackelberg-Nash equilibrium and quasi harmonic games
Sign Up to like & getrecommendations! Published in 2021 at "Annals of Operations Research"
DOI: 10.1007/s10479-020-03916-x
Abstract: Security solutions for two stage games, where the second stage consists of a strategic form noncooperative game, are not reachable in many problems. The aim of this paper is to investigate such solutions. Mixed extension… read more here.
Keywords: equilibrium quasi; harmonic games; quasi harmonic; stackelberg nash ... See more keywords
Multibasin Quasi-Harmonic Approach for the Calculation of the Configurational Entropy of Small Molecules in Solution.
Sign Up to like & getrecommendations! Published in 2021 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.0c00978
Abstract: Entropy is a key thermodynamic property governing most biomolecular processes, including binding. Nonetheless, quantification of the configurational entropy of a single molecule in solution remains a grand challenge. Here, we present an original approach for… read more here.
Keywords: quasi harmonic; entropy; small molecules; solution ... See more keywords
Improving Predicted Nuclear Magnetic Resonance Chemical Shifts Using the Quasi-Harmonic Approximation.
Sign Up to like & getrecommendations! Published in 2019 at "Journal of chemical theory and computation"
DOI: 10.1021/acs.jctc.9b00481
Abstract: Ab initio nuclear magnetic resonance (NMR) chemical shift prediction plays an important role in the determination or validation of crystal structures. The ability to predict chemical shifts more accurately can translate to increased confidence in… read more here.
Keywords: chemical shifts; nuclear magnetic; quasi harmonic; using quasi ... See more keywords